⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12510695 | 0.90 | — | — | |
| SCHEMBL13384943 | 0.80 | — | — | |
| SCHEMBL12511667 | 0.79 | IDO1 (0.34) | — | |
| SCHEMBL2878318 | 0.79 | ESR1 (0.31) | — | |
| SCHEMBL13385156 | 0.78 | — | — | |
| SCHEMBL13384999 | 0.78 | — | — | |
| SCHEMBL13675137 | 0.78 | — | — | |
| SCHEMBL13384901 | 0.77 | — | — | |
| SCHEMBL13384926 | 0.76 | — | — | |
| SCHEMBL13384925 | 0.76 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090264683-A1 | CHLOROFLUOROBENZENE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2009-10-22 | — | — | US | disclosed |
| US-7569258-B2 | Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device | CHISSO CORPORATION (JP) | 2009-08-04 | — | — | US | disclosed |